>compound medroxyprogesterone
>formula C22H32O3
>parentmass 345.241877594423
>charge 1

>ms1peaks
97.0648789875854 0.705074
123.080331138407 1.30043
345.241895279766 100.0
345.398297597792 0.604208

>collision 10.0
97.0644222648816 3.04
123.080422486961 7.67565
285.219750347413 0.624629
309.221532385141 1.04071
327.23178998122 2.18568
345.241877594423 100.0
345.411447057202 0.614247

>collision 20.0
43.0177225863933 2.64251
67.0548613259705 0.780168
79.0539788544586 0.764429
81.0693394729288 1.08281
83.049203568766 3.02613
85.0647194854948 0.737017
91.0532310224781 0.5292
93.070064860736 1.31569
95.0858488690205 2.39603
97.0648696753075 42.0068
105.069067482112 0.759833
107.085197567694 1.35418
109.10088424133 0.92381
111.079089358041 0.674481
119.084684922765 0.931366
121.099878463503 1.41255
123.080338480312 100.0
123.464419187409 0.566687
131.084683409215 0.712173
133.100528599369 1.84296
135.082108356005 0.845732
135.116375716567 0.754188
137.096302028491 6.45661
143.086214256769 0.833499
145.100684169797 1.70707
147.115870826835 1.42619
149.094626268129 1.17508
149.128707827926 0.572099
157.099154344663 1.13276
159.115874523717 2.72986
161.131197980598 1.96926
163.110516865713 2.45439
171.116983135869 2.00875
173.131605878988 4.6427
175.142284833477 2.63619
177.128587403802 2.34024
183.11958070731 1.02511
185.130885521708 1.71185
187.144171334784 1.91506
189.129423227277 1.71063
191.140895815417 1.44224
195.117002732683 0.604734
197.129982324731 1.53207
199.145585803964 1.46511
201.162728493275 0.967171
203.146043280875 1.89612
205.159005058613 3.37595
211.146452248422 1.06993
213.160700878677 1.82941
215.143609715041 1.22688
217.15554698814 2.09585
221.127028362796 0.612152
225.161350814646 1.37794
227.176992561511 2.04651
229.159202216409 0.974659
231.172502280254 1.20469
235.158510951477 0.591541
239.164484516848 1.4491
241.191632542053 0.781625
243.169808747055 1.14664
245.190160080212 1.86046
251.17165930258 0.613169
255.174197320059 1.44421
257.155059344123 4.65556
259.20868981142 0.845984
263.177586642389 0.659484
265.193656057648 0.643503
266.19891237131 0.56631
267.210777971135 6.0083
269.187699840925 1.67555
271.203138535991 0.569517
273.182222733674 0.8748
275.163313049348 4.7577
283.203086757396 1.79918
284.213702751247 0.714955
285.219386789251 7.85812
291.211202556706 1.41519
303.230296549417 1.04936
309.220388225842 7.79136
327.231317849211 14.4033
345.241769969342 88.8845

>collision 40.0
41.0400070005633 2.02102
43.0188168633945 11.7544
43.0537865588261 0.577154
55.0186878221881 1.66988
55.0554307691059 3.05787
67.0548303016494 7.35131
69.070558869247 1.94342
77.0389591371858 2.79751
79.055491141352 3.26135
81.034351999771 0.555352
81.0707246147309 3.078
83.0499524720637 4.66134
91.0553435026227 3.11183
93.0698805394593 5.72619
95.0491635228664 1.62729
95.0854323256445 8.48559
97.065095091688 54.0609
105.06948739301 5.725
107.085470687011 2.78938
108.056428218447 1.04586
109.064685422585 1.89733
109.101610412231 2.23087
111.080517269545 1.28423
117.067467452823 1.49094
119.085849900715 3.94681
121.066196742708 0.94248
121.101441562772 2.10092
123.080431121065 100.0
129.068679377837 0.931166
131.085505047521 2.39402
133.10069395796 3.69841
135.080805767448 0.873857
135.11576584417 1.04554
137.09528290097 6.68065
141.070667201375 0.510344
142.07806203349 0.67168
143.084636882333 1.80734
145.101164255847 4.88348
147.117021025516 3.50871
149.095843503754 0.542215
149.131947479114 0.756051
155.08661407992 0.614886
156.092358033898 0.957804
157.099494177232 2.01238
159.116521245384 3.97669
161.128702544153 2.57823
163.110181494356 0.79352
169.100556964759 0.959651
171.117329586941 2.07834
173.13171115258 2.36027
175.110316048374 1.1025
175.147368675927 1.91311
177.125843172839 0.82381
181.103279226751 0.602746
183.116982047711 0.988882
185.131562135433 1.26061
187.138664456517 0.634294
189.127258811546 0.763645
195.113627181472 0.665465
197.131918926948 1.09925
199.145319813305 1.88223
211.146945926444 1.06215
213.169914966666 0.503438
214.133891378878 1.41679
215.141943016521 1.69366
223.148894701202 0.606458
225.159174274755 0.501091
251.177318743348 0.862791
267.206736373761 0.813707
269.190171629519 0.645905

